1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one

C107H131Cl6F2N15O5 — CID 173035000

About 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one

1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one (PubChem CID 173035000) has the molecular formula C107H131Cl6F2N15O5 and a molecular weight of 1958.04 g/mol. Its IUPAC name is 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one.

Molecular Properties

• Compound Name: 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one
• PubChem CID: 173035000
• Molecular Formula: C107H131Cl6F2N15O5
• Molecular Weight: 1958.04 g/mol
• Exact Mass: 1953.86
• IUPAC Name: 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one
• SMILES: Cc1cccc(N2CCN(CCCCn3ccc4c3CCCC4=O)CC2)c1C.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(F)c(F)c2)CC1
• InChI: InChI=1S/C24H33N3O.C22H27Cl2N3O.C21H25Cl2N3O.C20H23Cl2N3O.C20H23F2N3O/c1-19-7-5-8-22(20(19)2)27-17-15-25(16-18-27)12-3-4-13-26-14-11-21-23(26)9-6-10-24(21)28;23-19-7-6-17(16-20(19)24)26-14-12-25(13-15-26)9-1-2-10-27-11-8-18-21(27)4-3-5-22(18)28;22-18-6-5-16(15-19(18)23)25-13-11-24(12-14-25)8-2-9-26-10-7-17-20(26)3-1-4-21(17)27;2*21-17-5-4-15(14-18(17)22)24-11-8-23(9-12-24)10-13-25-7-6-16-19(25)2-1-3-20(16)26/h5,7-8,11,14H,3-4,6,9-10,12-13,15-18H2,1-2H3;6-8,11,16H,1-5,9-10,12-15H2;5-7,10,15H,1-4,8-9,11-14H2;2*4-7,14H,1-3,8-13H2
• InChIKey: WCLHYGMWGFAUIF-UHFFFAOYSA-N
• XLogP: 20.91
• TPSA: 142.40 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 25
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1958.04
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one?

The IUPAC name of 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one (CID 173035000) is 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one.

What is the SMILES notation for 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one?

The canonical SMILES for 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one is Cc1cccc(N2CCN(CCCCn3ccc4c3CCCC4=O)CC2)c1C.O=C1CCCc2c1ccn2CCCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1.O=C1CCCc2c1ccn2CCN1CCN(c2ccc(F)c(F)c2)CC1.

What is the InChIKey of 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one?

The InChIKey is WCLHYGMWGFAUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O.C22H27Cl2N3O.C21H25Cl2N3O.C20H23Cl2N3O.C20H23F2N3O/c1-19-7-5-8-22(20(19)2)27-17-15-25(16-18-27)12-3-4-13-26-14-11-21-23(26)9-6-10-24(21)28;23-19-7-6-17(16-20(19)24)26-14-12-25(13-15-26)9-1-2-10-27-11-8-18-21(27)4-3-5-22(18)28;22-18-6-5-16(15-19(18)23)25-13-11-24(12-14-25)8-2-9-26-10-7-17-20(26)3-1-4-21(17)27;2*21-17-5-4-15(14-18(17)22)24-11-8-23(9-12-24)10-13-25-7-6-16-19(25)2-1-3-20(16)26/h5,7-8,11,14H,3-4,6,9-10,12-13,15-18H2,1-2H3;6-8,11,16H,1-5,9-10,12-15H2;5-7,10,15H,1-4,8-9,11-14H2;2*4-7,14H,1-3,8-13H2.

What are the key properties of 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one?

1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one has a molecular weight of 1958.04 g/mol, XLogP of 20.91, 25 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-dichlorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propyl]-6,7-dihydro-5H-indol-4-one;1-[2-[4-(3,4-difluorophenyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-indol-4-one;1-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 173035000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).